1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide

C16H22N4O3S2 — CID 71797421

IUPAC1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1cccs1
InChIInChI=1S/C16H22N4O3S2/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21)
InChIKeyCWTYAFUYQRXUQY-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.44
Rot. Bonds5

About 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 71797421) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID71797421
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1cccs1
InChIInChI=1S/C16H22N4O3S2/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21)
InChIKeyCWTYAFUYQRXUQY-UHFFFAOYSA-N
XLogP1.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135
N-({1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16187961
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
N-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
CID 40779379
N-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]methanesulfonamide
CID 40779391
3-(4-fluorophenyl)-1-methyl-N-(2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 71796408
2-((4-fluorophenyl)thio)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797412
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
N-(2-(5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-2-((4-fluorophenyl)thio)acetamide
CID 72718630
N-((3S*,4R*)-1-{[1-methyl-5-(2-thienyl)-1H-pyrazol-3-yl]carbonyl}-4-propylpyrrolidin-3-yl)methanesulfonamide
CID 72880497
N-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)ethanesulfonamide
CID 86266325
US20250326790, Example 27
CID 177895700

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide (CID 71797421) is 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide is Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1cccs1.
What is the InChIKey of 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CWTYAFUYQRXUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21).
What are the key properties of 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71797421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).